50961-68-7
Product Name:
D-BASE
Formula:
C9H14N2O2
Synonyms:
L -(+)-threo-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
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COMPUTED DESCRIPTORS
| Molecular Weight | 182.22 g/mol |
|---|---|
| XLogP3 | -1.2 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 182.105527694 g/mol |
| Monoisotopic Mass | 182.105527694 g/mol |
| Topological Polar Surface Area | 92.5 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 147 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |